CID 238742

Nsc43268

Structural Information

Molecular Formula
C11H10Cl2N4
SMILES
CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H10Cl2N4/c1-6-4-10(17-11(14)15-6)16-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H3,14,15,16,17)
InChIKey
SMYYXXRSZGDZRG-UHFFFAOYSA-N
Compound name
4-N-(3,4-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

268.02826 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03554 157.5
[M+Na]+ 291.01748 168.4
[M-H]- 267.02098 160.9
[M+NH4]+ 286.06208 172.3
[M+K]+ 306.99142 161.5
[M+H-H2O]+ 251.02552 150.0
[M+HCOO]- 313.02646 171.7
[M+CH3COO]- 327.04211 169.2
[M+Na-2H]- 289.00293 162.6
[M]+ 268.02771 158.9
[M]- 268.02881 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.